N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine

C11H19N3O — CID 83229847

IUPACN-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CNOC1CCCC1
InChIInChI=1S/C11H19N3O/c1-9-10(8-14(2)13-9)7-12-15-11-5-3-4-6-11/h8,11-12H,3-7H2,1-2H3
InChIKeyHAUFCXJBKMZROP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds4

About N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine

N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine (PubChem CID 83229847) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
PubChem CID83229847
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CNOC1CCCC1
InChIInChI=1S/C11H19N3O/c1-9-10(8-14(2)13-9)7-12-15-11-5-3-4-6-11/h8,11-12H,3-7H2,1-2H3
InChIKeyHAUFCXJBKMZROP-UHFFFAOYSA-N
XLogP1.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115768183
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107416867
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112668644
[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
CID 83089475
1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 112705390
N-cyclopentyloxy-1-(1-methylpyrrol-2-yl)methanamine
CID 83229360
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine
CID 115768120
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 112705229

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine (CID 83229847) is N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine is Cc1nn(C)cc1CNOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine?
The InChIKey is HAUFCXJBKMZROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-10(8-14(2)13-9)7-12-15-11-5-3-4-6-11/h8,11-12H,3-7H2,1-2H3.
What are the key properties of N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine?
N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(1,3-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 83229847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).